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de_novo_design_rnn

Code for "De novo molecular design with chemical language models"

de_novo_design_sarscov2

Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neural Network-based Transfer Learning

delinker

delphipka

Protonation and pKa calculation. For more information, please visit: http://compbio.clemson.edu/pka_webserver/

deltavina

DeltaVina scoring function

deltavinaxgb

This is a machine-learning based protein-ligand scoring function.

dendroscope3

Dendroscope program for analyzing and visualizing rooted phylogenetic trees and networks

denoptim

DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.

denovogan-bindingdb

Drug Denovo Design using GAN for Daewoong Project

densityclust

Clustering by fast search and find of density peaks

deoptim

Differential evolution in R

deregnet

Find deregulated biomolecular networks

deregnet-tcga

Analysis of TCGA data with DeRegNet

deriver

descriptastorus

Descriptor computation(chemistry) and (optional) storage for machine learning

descriptormap

Generates volcano plots using an arbitrary number of descriptors.

descriptors

descriptors for in silico ADME/T modeling

designandoptimizationofmoleculesusingsoftware

Engineering Materials - Avogadro software simulations.

desmiles

Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"

dft-derived-force-field

DFT-derived force field parameters for carbon dioxide, water, and methane in MOF-74 frameworks.

dge_workshop_salmon

dgemo

[NeurIPS 2020] Diversity-Guided Efficient Multi-Objective Optimization With Batch Evaluations

dgl

Python package built to ease deep learning on graph, on top of existing DL frameworks.

diablo

DIABLO - an integrative multi-group, multi-dataset classification method

diagrammer

Graph and network visualization using tabular data in R.

diamond

Accelerated BLAST compatible local sequence aligner.

dicer

Diverse Cluster Ensemble in R

diffenrich

development of methods and software for differential enrichment analysis

diffusers

🤗 Diffusers: State-of-the-art diffusion models for image and audio generation in PyTorch

digitaldlsorter

digitalDLSorteR: An R package to deconvolute bulk RNA-Seq using scRNA-Seq data